Dataset

Mycophenolic acid; LC-ESI-QTOF; MS2; CE: Ramp 22.0-33.0 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU269806 contains the MS2 mass spectrum of Mycophenolic acid with the InChIkey HPNSFSBZBAHARI-RUDMXATFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
SMILES COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(O)=O
InChI Key HPNSFSBZBAHARI-RUDMXATFSA-N
Molecular Formula C17H20O6
Exact Mass 320.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU269806
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MetadataPublished 2019-05-30
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MYCOPHENOLIC ACID clinicaltrials
    MYFORTIC clinicaltrials
    ERL 080 clinicaltrials
    ERL-080 clinicaltrials
    HY-B0421 MedChemExpress
    MCULE-1991681277 Mcule
    LSM-42933 LINCS
    DTXSID4041070 EPA CompTox Dashboard
    1860 DrugCentral
    ZINC000000001758 ZINC
    J2.768E Nikkaji
    6832 Guide to Pharmacology
    J49.437B Nikkaji
    MYCPHA CCDC
    19264 BindingDB
    MYCOPHENOLIC ACID DailyMed
    MYCOPHENOLATE SODIUM rxnorm
    MYFORTIC rxnorm
    MYCOPHENOLATE rxnorm
    MYCOPHENOLIC ACID rxnorm
    MYCOPHENOLATE SODIUM clinicaltrials
    CB4507365 ChemicalBook
    PA164748728 PharmGKB
    168396 ChEBI
    MOA PDBe
    DB01024 DrugBank
    CHEMBL866 ChEMBL
    MTBLC168396 Metabolights
    570 Brenda
    6557 Brenda
    216043 Brenda
    HMDB0015159 Human Metabolome Database
    mycophenolic acid DailyMed
    CB8311003 ChemicalBook
    18595868 eMolecules
    446541 PubChem
    70011881 NMRShiftDB
    PD001641 ProbesDrugs
    HU9DX48N0T FDA SRS
    14850485 PubChem: Thomson Pharma
    24280-93-1 ACToR
    483-60-3 ACToR
    Mycophenolic-acid(Mycophenolate) Selleck
    SCHEMBL4549 SureChEMBL
    The data in this table is sourced from UniChem at EBI.